Migrate dependency toml to tomllib

.github/workflows/test.yaml

@@ -5,19 +5,23 @@ on: [push, pull_request]
 jobs:
   tests:
     runs-on: ubuntu-latest
+    strategy:
+      matrix:
+        python-version: ["3.8", "3.11"]
     steps:
-      - uses: actions/checkout@v3
+      - uses: actions/checkout@v4
       - uses: actions/setup-python@v4
         name: Set up Python
         with:
-          python-version: "3.8"
+          python-version: ${{ matrix.python-version }}
       - name: Install poetry
         run: pip install poetry
       - name: Install repo
         run: poetry install --no-interaction --no-ansi
       - name: Run tests
         run: bash scripts/tests.sh
       - name: Upload coverage HTML
+        if: ${{ matrix.python-version == '3.8' }}
         uses: actions/upload-artifact@v3
         with:
           name: htmlcov

.pre-commit-config.yaml

@@ -32,7 +32,7 @@ repos:
     hooks:
       - id: mypy
         additional_dependencies:
-          [tokenize-rt==3.2.0, pydantic>=2.0.0, types-toml, types-pyyaml]
+          [tokenize-rt==3.2.0, pydantic>=2.0.0, types-pyyaml]
   - repo: https://github.com/crate-ci/typos
     rev: v1.16.10
     hooks:

chemcloud/http_client.py

@@ -1,12 +1,19 @@
 import json
+import sys
 from base64 import urlsafe_b64decode
 from getpass import getpass
 from pathlib import Path
 from time import time
 from typing import Any, Dict, List, Optional, Tuple, Union
 
 import httpx
-import toml
+
+if sys.version_info >= (3, 11):
+    import tomllib
+else:
+    import tomli as tomllib
+
+import tomli_w
 from qcio.utils import json_dumps
 
 from chemcloud.models import FutureOutput, FutureOutputGroup, QCIOInputs
@@ -72,8 +79,8 @@ def _set_tokens(self) -> None:
             access_token, refresh_token = self._tokens_from_username_password(un, pw)
 
         elif credentials_file.is_file():  # Look for tokens in credentials file
-            with open(credentials_file) as f:
-                credentials = toml.load(f)
+            with open(credentials_file, "rb") as f:
+                credentials = tomllib.load(f)
             try:
                 access_token = credentials[self._profile]["access_token"]
                 refresh_token = credentials[self._profile]["refresh_token"]
@@ -146,8 +153,8 @@ def write_tokens_to_credentials_file(
         )
 
         if credentials_file.is_file():
-            with open(credentials_file, "r") as f:
-                credentials = toml.load(f)
+            with open(credentials_file, "rb") as f:
+                credentials = tomllib.load(f)
         else:
             credentials_file.parent.mkdir(parents=True, exist_ok=True)
             credentials = {}
@@ -156,8 +163,8 @@ def write_tokens_to_credentials_file(
             "access_token": access_token,
             "refresh_token": refresh_token,
         }
-        with open(credentials_file, "w") as f:
-            toml.dump(credentials, f)
+        with open(credentials_file, "wb") as f:
+            tomli_w.dump(credentials, f)
 
     def _request(
         self,

docs/CHANGELOG.md

@@ -9,6 +9,8 @@ The format is based on [Keep a Changelog](https://keepachangelog.com/en/1.0.0/),
 ### Changed
 
 - Updated GitHub actions to run on `pull_request` in addition to `push`.
+- Migrated dependency `uiri/toml` to `hukkin/tomli` (Python < 3.11) or the built-in `tomllib` (Python >= 3.11)
+- Updated GitHub actions to test against both Python 3.8 and Python 3.11
 
 ## [0.8.2] - 2023-09-25
 

pyproject.toml

@@ -26,7 +26,8 @@ classifiers = [
 
 [tool.poetry.dependencies]
 python = "^3.8"
-toml = "^0.10.2"
+tomli = { version = ">=1.1.0", python = "<3.11" }
+tomli-w = "^1.0.0"
 httpx = "^0.23.1"
 qcio = "^0.7.0"
 pydantic = ">=2.0.0, !=2.4.0"
@@ -43,7 +44,6 @@ pytest-cov = "^4.1.0"
 coverage = "^7.3.0"
 pytest-httpx = "<0.23.0"
 pytest-mock = "^3.11.1"
-types-toml = "^0.10.8.7"
 
 
 [tool.poetry.group.docs.dependencies]

tests/conftest.py

@@ -6,7 +6,7 @@
 from typing import Dict
 
 import pytest
-import toml
+import tomli_w
 from pytest_httpx import HTTPXMock
 from qcio import Molecule
 
@@ -42,8 +42,8 @@ def _write_credentials_file(
         credentials_file = (
             settings.chemcloud_base_directory / settings.chemcloud_credentials_file
         )
-        with open(credentials_file, "w+") as f:
-            toml.dump(credentials, f)
+        with open(credentials_file, "wb+") as f:
+            tomli_w.dump(credentials, f)
 
     return _write_credentials_file
 

tests/test_http_client.py

@@ -1,8 +1,12 @@
 import json
 import re
+import sys
 from pathlib import Path
 
-import toml
+if sys.version_info >= (3, 11):
+    import tomllib
+else:
+    import tomli as tomllib
 from pytest_httpx import HTTPXMock
 from qcio import Model, ProgramInput, SinglePointOutput
 
@@ -135,8 +139,8 @@ def test_write_tokens_to_credentials_file(settings):
 
     assert credentials_file.is_file()
 
-    with open(credentials_file) as f:
-        data = toml.load(f)
+    with open(credentials_file, "rb") as f:
+        data = tomllib.load(f)
 
     assert (
         data[settings.chemcloud_credentials_profile]["access_token"]
@@ -166,8 +170,8 @@ def test_write_tokens_to_credentials_file_adds_new_profiles_to_credentials_file(
 
     assert credentials_file.is_file()
 
-    with open(credentials_file) as f:
-        data = toml.load(f)
+    with open(credentials_file, "rb") as f:
+        data = tomllib.load(f)
 
     assert (
         data[settings.chemcloud_credentials_profile]["access_token"]
@@ -186,8 +190,8 @@ def test_write_tokens_to_credentials_file_adds_new_profiles_to_credentials_file(
         new_profile_access_token, new_profile_refresh_token, profile=new_profile_name
     )
 
-    with open(credentials_file) as f:
-        data = toml.load(f)
+    with open(credentials_file, "rb") as f:
+        data = tomllib.load(f)
 
     # Default profile still exists
     assert (
@@ -224,8 +228,8 @@ def test_write_tokens_to_credentials_file_overwrites_tokens_of_existing_profiles
 
     assert credentials_file.is_file()
 
-    with open(credentials_file) as f:
-        data = toml.load(f)
+    with open(credentials_file, "rb") as f:
+        data = tomllib.load(f)
 
     assert (
         data[settings.chemcloud_credentials_profile]["access_token"]
@@ -241,8 +245,8 @@ def test_write_tokens_to_credentials_file_overwrites_tokens_of_existing_profiles
 
     client.write_tokens_to_credentials_file(new_access_token, new_refresh_token)
 
-    with open(credentials_file) as f:
-        data = toml.load(f)
+    with open(credentials_file, "rb") as f:
+        data = tomllib.load(f)
 
     # Default profile has new tokens
     assert (
@@ -316,8 +320,8 @@ def test__refresh_tokens_writes_to_credentials_file_only_if_flag_set(
     client._refresh_tokens(original_refresh_token)
     assert credentials_file.is_file()
 
-    with open(credentials_file) as f:
-        data = toml.load(f)
+    with open(credentials_file, "rb") as f:
+        data = tomllib.load(f)
 
     assert (
         data[settings.chemcloud_credentials_profile]["access_token"]